BIAdb Thalcimine 3382

BIAdb Thalcimine 3382
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	362568
Chemical data
Formula	C₃₈H₄₀N₂O₇
Mol. mass	636.7334
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Thalictrum simplex

Anticancer

*Molecular Weight

636.7334

*Exact Mass

636.283552

*Molecular Formula

C₃₈H₄₀N₂O₇

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=C3C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5

*Isomeric Smiles

CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5

*XLogP

5.8

*Hydrogen bond donor

0

*Hydrogen bond acceptor

9

*Rotational Bond Count

5

*Topological Polar Surface Area

80.2